Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TOP1 | P11387 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ARG2 | P78540 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27640145 | 0.83 | MAOB (0.44) | MAOBCES2CES1AKR1B1CYP2C19 | |
| SCHEMBL442434 | 0.81 | MAOB (0.52) | MAOBCES2CES1AKR1B1CYP2C19 | |
| SCHEMBL3244969 | 0.77 | ALDH1A1 (0.48) | MAOBCES2CES1AKR1B1CYP2C19 | |
| SCHEMBL295277 | 0.77 | MAOB (0.48) | MAOBCES2CES1AKR1B1CYP2C19 | |
| SCHEMBL3244427 | 0.76 | CES1 (0.54) | MAOBCES2CES1AKR1B1CYP2C19 | |
| SCHEMBL3244713 | 0.76 | TDP1 (0.52) | MAOBCES2CES1AKR1B1CYP2C19 | |
| SCHEMBL27660941 | 0.75 | KMT2A (0.44) | CYP2C9MEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL8467379 | 0.74 | MAOB (0.44) | MAOBCES2CES1AKR1B1CYP2C19 | |
| SCHEMBL3408806 | 0.74 | MAOB (0.44) | MAOBCES2CES1AKR1B1CYP2C19 | |
| SCHEMBL27582991 | 0.74 | MAOB (0.44) | MAOBCES2CES1AKR1B1CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-10075797-A | — | — | None | — | — | JP | disclosed |
| JP-H1075797-A | PRODUCTION OF (R)-2-HYDROXY-4-PHENYL-3-BUTENOIC ACID BY ENZYMATIC METHOD | DAICEL CHEM IND LTD | 1998-03-24 | — | — | JP | disclosed |